2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C10H15N5O2 — CID 66274086

IUPAC2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCOC(CN)Cn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O2/c1-2-17-8(5-11)7-15-10(16)14-4-3-12-6-9(14)13-15/h3-4,6,8H,2,5,7,11H2,1H3
InChIKeyRBDHGJRASXNAJD-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.75
Rot. Bonds5

About 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66274086) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66274086
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCCOC(CN)Cn1nc2cnccn2c1=O
InChIInChI=1S/C10H15N5O2/c1-2-17-8(5-11)7-15-10(16)14-4-3-12-6-9(14)13-15/h3-4,6,8H,2,5,7,11H2,1H3
InChIKeyRBDHGJRASXNAJD-UHFFFAOYSA-N
XLogP-0.75
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66274086) is 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCOC(CN)Cn1nc2cnccn2c1=O.
What is the InChIKey of 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is RBDHGJRASXNAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-2-17-8(5-11)7-15-10(16)14-4-3-12-6-9(14)13-15/h3-4,6,8H,2,5,7,11H2,1H3.
What are the key properties of 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-ethoxypropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66274086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).